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Compound Detail

CHEMBL2381965

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O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2381965
Phase Preclinical
Structure Type MOL
InChI Key LNENLABLFGGAFF-VSKRKVRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
3.30
ALogP
4
HBA
1
HBD
95.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O5
MW 446.50
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
23562243 10.1016/j.bmcl.2013.03.013 Kelch-like ECH-associated protein 1 1

Data from ChEMBL 36 via Core Engine